Loading doc/src/min_modify.rst +3 −3 Original line number Diff line number Diff line Loading @@ -143,7 +143,7 @@ optimize the minimization for large or complex systems. Other parameters of the *fire* minimization can be tuned (\ *tmin*\ , *delaystep*\ , *dtgrow*\ , *dtshrink*\ , *alpha0*\ , and *alphashrink*\ ). Please refer to the references describing the :doc:`min\_style <min_style>` *fire*. :doc:`min_style <min_style>` *fire*. An additional stopping criteria *vdfmax* is used by *fire* in order to avoid unnecessary looping when it is reasonable to think the system will not be relaxed further. Note that in this case the system will NOT have Loading @@ -151,8 +151,8 @@ reached your minimization criteria. This could happen when the system comes to be stuck in a local basin of the phase space. *vdfmax* is the maximum number of consecutive iterations with P(t) < 0. The :doc:`min\_style <min_style>` *fire* is an optimized implementation of :doc:`min\_style <min_style>` *fire/old*. It can however behave similarly The :doc:`min_style <min_style>` *fire* is an optimized implementation of :doc:`min_style <min_style>` *fire/old*. It can however behave similarly to the *fire/old* style by using the following set of parameters: .. parsed-literal:: Loading doc/src/min_style.rst +2 −2 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ each atom is initialized to 0.0 by this style, at the beginning of a minimization. This style correspond to an optimized version described in :ref:`(Guenole) <Guenole>` that include different time integration schemes and defaults parameters. The default parameters can be modified with the command :doc:`min\_modify <min_modify>`. modified with the command :doc:`min_modify <min_modify>`. Style *fire/old* is the original implementation of *fire* in Lammps, Loading @@ -80,7 +80,7 @@ A complete description of the differences between *fire/old* and *fire* can be found in :ref:`(Guenole) <Guenole>` (where the current *fire* in lammps is named *fire2.0*). By using an appropriate set of parameters, *fire* can behave similarly than *fire/old*, as described in the :doc:`min\_modify <min_modify>` command. in the :doc:`min_modify <min_modify>` command. Style *spin* is a damped spin dynamics with an adaptive timestep. Loading Loading
doc/src/min_modify.rst +3 −3 Original line number Diff line number Diff line Loading @@ -143,7 +143,7 @@ optimize the minimization for large or complex systems. Other parameters of the *fire* minimization can be tuned (\ *tmin*\ , *delaystep*\ , *dtgrow*\ , *dtshrink*\ , *alpha0*\ , and *alphashrink*\ ). Please refer to the references describing the :doc:`min\_style <min_style>` *fire*. :doc:`min_style <min_style>` *fire*. An additional stopping criteria *vdfmax* is used by *fire* in order to avoid unnecessary looping when it is reasonable to think the system will not be relaxed further. Note that in this case the system will NOT have Loading @@ -151,8 +151,8 @@ reached your minimization criteria. This could happen when the system comes to be stuck in a local basin of the phase space. *vdfmax* is the maximum number of consecutive iterations with P(t) < 0. The :doc:`min\_style <min_style>` *fire* is an optimized implementation of :doc:`min\_style <min_style>` *fire/old*. It can however behave similarly The :doc:`min_style <min_style>` *fire* is an optimized implementation of :doc:`min_style <min_style>` *fire/old*. It can however behave similarly to the *fire/old* style by using the following set of parameters: .. parsed-literal:: Loading
doc/src/min_style.rst +2 −2 Original line number Diff line number Diff line Loading @@ -68,7 +68,7 @@ each atom is initialized to 0.0 by this style, at the beginning of a minimization. This style correspond to an optimized version described in :ref:`(Guenole) <Guenole>` that include different time integration schemes and defaults parameters. The default parameters can be modified with the command :doc:`min\_modify <min_modify>`. modified with the command :doc:`min_modify <min_modify>`. Style *fire/old* is the original implementation of *fire* in Lammps, Loading @@ -80,7 +80,7 @@ A complete description of the differences between *fire/old* and *fire* can be found in :ref:`(Guenole) <Guenole>` (where the current *fire* in lammps is named *fire2.0*). By using an appropriate set of parameters, *fire* can behave similarly than *fire/old*, as described in the :doc:`min\_modify <min_modify>` command. in the :doc:`min_modify <min_modify>` command. Style *spin* is a damped spin dynamics with an adaptive timestep. Loading
